molframe_pdb/
lib.rs

1//! Reading and writing the legacy fixed-column structure format.
2//!
3//! The format predates the archive's current one and remains the most widely
4//! read structural format there is. It is also the most constrained: every field
5//! has a fixed width, and a structure large enough to overflow one cannot be
6//! written honestly. This crate reads what the archive contains — including the
7//! extended counting scheme that files past the field limits use — and refuses
8//! to write anything it would have to truncate.
9
10#![forbid(unsafe_code)]
11
12mod batch;
13pub mod fixed;
14mod header;
15pub mod hybrid36;
16mod mmtf;
17mod reader;
18mod writer;
19
20pub use batch::PdbBatchSource;
21pub use header::{PDB_HEADERS_EXTENSION, PdbHeaderRecord, PdbHeaders, PdbHeadersExt};
22pub use mmtf::{
23    MMTF_METADATA_EXTENSION, MmtfEntityMetadata, MmtfGroupMetadata, MmtfMetadata,
24    MmtfOptionalField, read_mmtf, write_mmtf, write_mmtf_to,
25};
26pub use reader::{PdbReader, read, read_pdbqt, read_pqr};
27pub use writer::{
28    PdbIdentifierNamespace, PdbOptions, write, write_pdbqt, write_pdbqt_to, write_pqr,
29    write_pqr_to, write_selected, write_selected_to, write_to,
30};
molframe_pdb/lib.rs

molframe_pdb/
lib.rs
